5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide

C17H24ClN3O2 — CID 145244067

IUPAC5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide
SMILESC1CCCC1.Clc1ccc2[nH]ncc2c1.NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H5ClN2.C5H9NO2.C5H10/c8-6-1-2-7-5(3-6)4-9-10-7;6-5(7)4-2-1-3-8-4;1-2-4-5-3-1/h1-4H,(H,9,10);4H,1-3H2,(H2,6,7);1-5H2/t;4-;/m.0./s1
InChIKeyMFWHMXHVEWEOCG-INZIHYEWSA-N
MW337.85 g/mol
LogP3.82
Rot. Bonds1

About 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide

5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide (PubChem CID 145244067) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide
PubChem CID145244067
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide
SMILESC1CCCC1.Clc1ccc2[nH]ncc2c1.NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C7H5ClN2.C5H9NO2.C5H10/c8-6-1-2-7-5(3-6)4-9-10-7;6-5(7)4-2-1-3-8-4;1-2-4-5-3-1/h1-4H,(H,9,10);4H,1-3H2,(H2,6,7);1-5H2/t;4-;/m.0./s1
InChIKeyMFWHMXHVEWEOCG-INZIHYEWSA-N
XLogP3.82
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide?
The IUPAC name of 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide (CID 145244067) is 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide.
What is the SMILES notation for 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide?
The canonical SMILES for 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide is C1CCCC1.Clc1ccc2[nH]ncc2c1.NC(=O)[C@@H]1CCCO1.
What is the InChIKey of 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide?
The InChIKey is MFWHMXHVEWEOCG-INZIHYEWSA-N. The full InChI is InChI=1S/C7H5ClN2.C5H9NO2.C5H10/c8-6-1-2-7-5(3-6)4-9-10-7;6-5(7)4-2-1-3-8-4;1-2-4-5-3-1/h1-4H,(H,9,10);4H,1-3H2,(H2,6,7);1-5H2/t;4-;/m.0./s1.
What are the key properties of 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide?
5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indazole;cyclopentane;(2S)-oxolane-2-carboxamide is sourced from PubChem (CID 145244067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).